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Compound InformationSONAR Target prediction
Name:

Novel

Unique Identifier:LAT015B02
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10Cl3H8NO2
Molecular Weight:272.471 g/mol
X log p:11.257  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:NC(=CC(=O)c1ccccc1O)C(Cl)(Cl)Cl

Found: 5 active as graph: single | with analogs << Back 1 2 3 4 5 Next >> 
Species: 4932
Condition: pdr22h
Replicates: 2
Raw OD Value: r im 0.4170±0.0699329
Normalized OD Score: sc h 0.6247±0.0937479
Z-Score: -14.5144±1.89162
p-Value: 5.96903e-40
Z-Factor: 0.0827436
Fitness Defect: 90.3168
Bioactivity Statement: Active
Experimental Conditions
Library:LATCA
Plate Number and Position:15|B2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2007-03-08 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00220
Plate DMSO Control (-):0.6626000000000001±0.01352
Plate Z-Factor:0.9278
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DBLink | Rows returned: 2
788049 (E)-3-amino-4,4,4-trichloro-1-(2-hydroxyphenyl)but-2-en-1-one
2832881 3-amino-4,4,4-trichloro-1-(2-hydroxyphenyl)but-2-en-1-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 15651 | Additional Members: 8 | Rows returned: 2
SPE01500255 0.555555555555556
LAT010C02 0.5

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